2-Ethyl-2-adamantyl acrylate - ≥99% , CAS No.303186-14-3

CAS: 303186-14-3 Cat. No.: E730509 Formula: C₁₅H₂₂O₂ Peso molecolare: 234.33 PubChem CID: 22168880

GRADE & PURITY ≥99%

Storage

Room temperature

Specifications

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥99%

Proprietà del prodotto

• ALogP: 3.8

Nomi e identificatori

• Sorrisi canonici: CCC1(C2CC3CC(C2)CC1C3)OC(=O)C=C
• IUPAC Name: (2-ethyl-2-adamantyl) prop-2-enoate
• InChIKey: NLNVUFXLNHSIQH-UHFFFAOYSA-N
• INCHI: 1S/C15H22O2/c1-3-14(16)17-15(4-2)12-6-10-5-11(8-12)9-13(15)7-10/h3,10-13H,1,4-9H2,2H3
• Isomeri SMILES: CCC1(C2CC3CC(C2)CC1C3)OC(=O)C=C
• PubChem CID: 22168880
• Peso molecolare: 234.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Acrylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Acrylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Acrylic acid esters
• Alternative Parents: Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Acrylic acid ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as acrylic acid esters. These are organic compounds containing and ester acrylic acid (CH2=CHC(=O)OH).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Peso molecolare: 234.330 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 234.162 Da
• Monoisotopic Mass: 234.162 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 317.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1